LAMMPS (30 Jun 2020)
  using 1 OpenMP thread(s) per MPI task
# Kob and Andersen model Phys. Rev. E 51, 4626 (1995)

units           lj
atom_style      atomic

pair_style      lj/cut 2.5
pair_modify     shift yes

read_data       data.widom.lj
  orthogonal box = (0.0000000 0.0000000 0.0000000) to (9.4000000 9.4000000 9.4000000)
  1 by 2 by 2 MPI processor grid
  reading atoms ...
  1000 atoms
  reading velocities ...
  1000 velocities
  read_data CPU = 0.002 seconds

pair_coeff      1 1 1.0 1.0 2.5
pair_coeff      1 2 1.5 0.8 2.0
pair_coeff      2 2 0.5 0.88 2.2

neighbor        0.3 bin
neigh_modify    delay 0 every 5 check yes

fix             mywidom all widom 10 100000 2 29494 0.75

fix             1 all langevin 0.75 0.75 0.1 48279 zero yes
fix             2 all nve

timestep        0.002

thermo_style    custom step temp pe etotal press vol density f_mywidom[1] f_mywidom[2] f_mywidom[3]
thermo          10

run             100
Neighbor list info ...
  update every 5 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 2.8
  ghost atom cutoff = 2.8
  binsize = 1.4, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cut, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.13 | 3.13 | 3.131 Mbytes
Step Temp PotEng TotEng Press Volume Density f_mywidom[1] f_mywidom[2] f_mywidom[3] 
       0   0.75021245   -6.4204308   -5.2962374    7.2962696      830.584    1.2039721            0            0      830.584 
      10   0.74279259   -6.4332442   -5.3201696    7.2071344      830.584    1.2039721   -3.4462258    98.984938      830.584 
      20   0.73016272   -6.4222911   -5.3281423    7.2714238      830.584    1.2039721   -4.4887329    397.41346      830.584 
      30   0.74416342    -6.429139   -5.3140101    7.2713375      830.584    1.2039721   -4.3313574    322.19056      830.584 
      40   0.73295457   -6.4370942   -5.3387618     7.227091      830.584    1.2039721   -4.7419281    557.00309      830.584 
      50   0.76914235   -6.4473959   -5.2948361    7.2179148      830.584    1.2039721   -3.1794069    69.352982      830.584 
      60   0.74099083   -6.4433012   -5.3329265     7.204973      830.584    1.2039721   -3.5231065    109.66994      830.584 
      70   0.74514671   -6.4288463    -5.312244    7.2771269      830.584    1.2039721   -1.0154832    3.8727995      830.584 
      80   0.72787097   -6.4457574   -5.3550427    7.1130709      830.584    1.2039721   -3.6691709     133.2501      830.584 
      90   0.78452846   -6.5034376   -5.3278217    6.8238659      830.584    1.2039721   -2.0798339    16.008373      830.584 
     100   0.77188499    -6.487313   -5.3306433    6.9133194      830.584    1.2039721    -2.066579    15.727938      830.584 
Loop time of 3.37748 on 4 procs for 100 steps with 1000 atoms

Performance: 5116.239 tau/day, 29.608 timesteps/s
98.7% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.02025    | 0.020952   | 0.021322   |   0.3 |  0.62
Neigh   | 0.0059071  | 0.0060568  | 0.0061543  |   0.1 |  0.18
Comm    | 0.016558   | 0.059554   | 0.094282   |  12.2 |  1.76
Output  | 0.00022173 | 0.00042927 | 0.0010471  |   0.0 |  0.01
Modify  | 3.2552     | 3.2902     | 3.3335     |   1.7 | 97.42
Other   |            | 0.0003003  |            |       |  0.01

Nlocal:        250.000 ave         256 max         242 min
Histogram: 1 0 0 0 1 0 0 0 1 1
Nghost:        1666.00 ave        1670 max        1659 min
Histogram: 1 0 0 0 0 0 1 0 0 2
Neighs:        11538.0 ave       11832 max       11091 min
Histogram: 1 0 0 0 0 0 1 1 0 1

Total # of neighbors = 46152
Ave neighs/atom = 46.152000
Neighbor list builds = 10
Dangerous builds = 0
Total wall time: 0:00:03
